ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate

C12H13Cl2NO3 — CID 61343869

IUPACethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVXTQGAAZJZFAPX-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate

ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate (PubChem CID 61343869) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
PubChem CID61343869
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Nameethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVXTQGAAZJZFAPX-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
CID 110191872
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate (CID 61343869) is ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate?
The InChIKey is VXTQGAAZJZFAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate?
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate has a molecular weight of 290.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate is sourced from PubChem (CID 61343869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).